3S3R
Structure of cathepsin B1 from Schistosoma mansoni in complex with K11777 inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C | Cathepsin B-like peptidase (C01 family) | polymer | 254 | 28507.3 | 3 | UniProt (Q8MNY2) Pfam (PF00112) In PDB | Schistosoma mansoni (Blood fluke) | Cathepsin B1 isotype 1 |
| 2 | A, B, C | Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide | non-polymer | 576.7 | 3 | BIRD (PRD_000325) Chemie (0IW) | |||
| 3 | water | water | 18.0 | 66 | Chemie (HOH) |
Sequence modifications
A, B, C: 70 - 323 (UniProt: Q8MNY2)
| PDB | External Database | Details |
|---|---|---|
| Ala 168 | Thr 185 | engineered mutation |
| Ala 283 | Thr 300 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 85521.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1730.2 | |
| All* | Total formula weight | 87252.0 |
